Geometry & MOs

Info

ID:

190226

PubChem CID:

77972847

Reduced:

O4N5C25H37 (1)

Stoich.:

A4B5C25D37 (1)

Weight, g/mol:

554.217678

ΔHf, kcal/mol:

-151.66

Dipole, Da:

8.76

IP(EA), eV:

 -8.64(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[2-(3-fluoropyrrolidin-1-yl)-2-oxoacetyl]-methylamino]-4-(4-methyl-1,3-dioxetan-2-yl)-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-5-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NCC1CNC(=O)O1)NC(=O)C2=NN(C3=CC=CCC32)CC4CCCCC4

DOS

IR

Vibrations